Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 4/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | F10 | P00742 | 1/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5032587 | 0.87 | SMN1; SMN2 (0.61) | KMT2AHDAC2HDAC8HDAC6HTT | |
| SCHEMBL2850433 | 0.86 | MAPK1 (0.65) | AKR1C3TDP1MAPK1KMT2AHDAC2 | |
| SCHEMBL5034887 | 0.83 | CYP2C19 (0.76) | AKR1C3TDP1MAPK1KMT2AHDAC2 | |
| SCHEMBL5034890 | 0.82 | PRMT1 (0.77) | AKR1C3TDP1MAPK1KMT2AHTT | |
| SCHEMBL2858650 | 0.81 | AKR1C3 (0.80) | AKR1C3TDP1MAPK1KMT2AHDAC2 | |
| SCHEMBL4618106 | 0.78 | TDP1 (0.76) | AKR1C3TDP1MAPK1KMT2AHDAC2 | |
| SCHEMBL11177620 | 0.78 | TDP1 (1.00) | TDP1MAPK1KMT2AHTTPKM | |
| SCHEMBL15899885 | 0.77 | AKR1C3 (0.50) | AKR1C3TDP1MAPK1KMT2AHDAC2 | |
| SCHEMBL2850006 | 0.77 | SMN1; SMN2 (0.64) | MAPK1KMT2AHDAC2HDAC8HDAC6 | |
| SCHEMBL2859691 | 0.76 | CYP2C19 (0.55) | AKR1C3TDP1MAPK1KMT2AHDAC2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | claimed |
| EP-1761541-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | claimed |
| EP-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | disclosed |
| EP-1761541-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | disclosed |